1-[quinolin-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[quinolin-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-quinolyl-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[3-quinolinyl-[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[quinolin-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-quinolyl-[3-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C23H21F3N2O2 MolecularWeight: 414.42025

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C23H21F3N2O2/c24-23(25,26)19-6-3-5-17(13-19)21(28-10-8-15(9-11-28)22(29)30)18-12-16-4-1-2-7-20(16)27-14-18/h1-7,12-15,21H,8-11H2,(H,29,30)